>compound Maltotriose_Maltotriose
#instrument UPLC Q-Tof Premier, Waters
>formula C18H32O16
#smiles OCC(O1)C(O)C(O)C(O)C1OC(C(CO)3)C(O)C(O)C(O3)OC(C(CO)2)C(O)C(O)C(O)O2
#RECORD LC-ESI-QTOF_train_data/PR100589.txt;LC-ESI-QTOF_train_data/PR100706.txt
>charge -1
>ionization [M-H]-
>parentmass 503.16123

>collision 5-60
59.0152 21.1
71.0154 54.12
73.0307 55.95
81.035 7.094
83.0141 13.5
85.0294 12.29
87.0099 7.038
89.0252 34.92
97.0303 51.28
101.0247 101.2
113.0264 30.85
115.0403 14.15
119.0352 18.47
125.0227 6.403
143.0372 20.19
161.0462 170.5
179.0566 66.78
221.0674 53.86
263.0819 14.53
281.0894 11.64
341.1096 31.14
383.1235 44.45
425.1311 10.85
443.1507 7.515
503.1612 6.288

>collision 5-60
59.0151 31.49
71.0147 75.15
73.0301 77.37
81.0348 9.459
83.0136 19.8
85.0297 12.35
87.0095 7.215
89.0244 42.04
97.0291 59.03
101.0241 144.1
113.0235 35.3
115.0373 15.27
119.034 15.81
125.0232 12.09
131.033 11.21
143.0343 32.33
161.0447 219.4
179.0545 90.14
221.0663 70.11
263.0761 19.12
281.0847 23.97
341.1081 41.06
383.1171 47.48
425.1253 19.17
503.1612 8.734

